MolNFT v1 · #91483 · RNA

Crystal structure of the A24U/U25A/A46G mutant xpt-pbux guanine riboswitch aptamer domain in complex with hypoxanthine

4FEN · A24U/U25A/A46G mutant of the B. subtilis xpt-pbux guanine…: “Crystal structure of the A24U/U25A/A46G mutant xpt-pbux guanine riboswitch aptamer domain in complex with…”. X-ray diffraction, 2 ligands (NCO, HPA), 2 pockets (best…

PDB: 4FEN
Type: RNA
Length: 67 nucleotides
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: A24U/U25A/A46G mutant of the B. subtilis xpt-pbux guanine riboswitch aptamer domain
Ligands: NCO, HPA
Pockets: 2 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	A24U/U25A/A46G mutant of the B. subtilis xpt-pbux guanine riboswitch aptamer domain	rna	67	—	—

Ligands and binding sites

NCO · Cobalt hexammine(iii) · ligand · 7 copies · chains B
HPA · Hypoxanthine · ligand · chains B
ACT · Acetate ion · additive · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	815	0.70	0.77	37	ACT, NCO
2	176	0.40	0.73	16	empty

Compared structures

4FEN · Crystal structure of the A24U/U25A/A46G mutant xpt-pbuX guanine riboswitch aptamer domain… · the same entry in another collection · chain B against B, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 4FEN · PDBe 4FEN

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